3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide

C14H9ClF2INO — CID 103222099

IUPAC3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide
SMILESO=C(NCc1cc(F)ccc1F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H9ClF2INO/c15-11-6-8(1-4-13(11)18)14(20)19-7-9-5-10(16)2-3-12(9)17/h1-6H,7H2,(H,19,20)
InChIKeyBZTGGPYFAOVYPH-UHFFFAOYSA-N
MW407.59 g/mol
LogP4.15
Rot. Bonds3

About 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide

3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide (PubChem CID 103222099) has the molecular formula C14H9ClF2INO and a molecular weight of 407.59 g/mol. Its IUPAC name is 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide
PubChem CID103222099
Molecular FormulaC14H9ClF2INO
Molecular Weight407.59 g/mol
Exact Mass406.94
IUPAC Name3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide
SMILESO=C(NCc1cc(F)ccc1F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H9ClF2INO/c15-11-6-8(1-4-13(11)18)14(20)19-7-9-5-10(16)2-3-12(9)17/h1-6H,7H2,(H,19,20)
InChIKeyBZTGGPYFAOVYPH-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107030045
4-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63795512
N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627623
N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide
CID 63791568
4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 102851692
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
CID 63790510
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide
CID 103222067
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide
CID 63373106

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide (CID 103222099) is 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide is O=C(NCc1cc(F)ccc1F)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide?
The InChIKey is BZTGGPYFAOVYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2INO/c15-11-6-8(1-4-13(11)18)14(20)19-7-9-5-10(16)2-3-12(9)17/h1-6H,7H2,(H,19,20).
What are the key properties of 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide?
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide has a molecular weight of 407.59 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide is sourced from PubChem (CID 103222099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).